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Molecular Perturbation Model for the Spin–Lattice Coupling Coefficients of 6 A 1 States to E θ Strains
Author(s) -
Boulanger D.,
Parrot R.
Publication year - 1990
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221570133
Subject(s) - degenerate energy levels , physics , perturbation (astronomy) , lattice (music) , spin–orbit interaction , perturbation theory (quantum mechanics) , condensed matter physics , mathematical physics , quantum mechanics , atomic physics , acoustics
The proposed perturbation model involves second‐order molecular spin–orbit interactions between the fundamental state 6 A 1 , and the components of orbital triplets 4 T 1 and 6 T 1 , calculated in symmetry D 2d induced by E‐strains. The matrix elements of the molecular spin–orbit interactions are first calculated for the states 4 T 1 and 6 T 1 defined from multielectronic configurations with three open shells. Then, it is shown that the second‐order molecular spin–orbit perturbation involving these states 4 T 1 and 6 T 1 is strictly zero if these states are degenerate. Finally, it is shown that the most important contribution is due to the three states 4 T 1 , defined from multielectronic configurations with two open shells.